| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 4.331 | 0.000 | 0.000 | True |
| 2 | 0.000 | 11.533 | 0.000 | True |
| 3 | 0.000 | 0.000 | 15.748 | True |
| Lengths: | 4.331 | 11.533 | 15.748 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.826 |
| space_group_number | space_group_number | 22 |
| volume | Volume of unit cell | 786.516 ų |
| mace_energy | mace_energy | -8.922 |
| mass | Sum of atomic masses in unit cell | 864.792 au |
| pearson_symbol | pearson_symbol | oF72 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 72 |
| topology | topology | hcb-jvh-jvh-hcb |
| wps | wps | ['16k', '16k', '8e', '16k', '16k'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C72 |